Predict flotation of minerals of elements of platinum group according to molecular modelling and technology of processing

"In this work, authors will show the efficiency of computer technology and chemical programs at studying collectors for flotation of minerals of elements of platinum group (EPG). Clusters various minerals EPG (flotation reagents) are created, named us clusters minerals (reagents) as their structure corresponds to the chemical formula, and the distance between separate atoms corresponds to the known tabulated data. By molecular modeling are investigated clusters sperrylite PtAs2, stumpfilyte PtSb, sadberryte PdSb, sobolevskite PdBi, palladoarsenyte Pd2As, paolovyte Pd2Sn, rustenburgyte (Pt3Sn, Pt6Sn2) and their computer parameters (absolute rigidity, electronegativity, transfer factors of carry, charges of the atoms) are determined. Tellurides of palladium (IV, II) merenskyite PdTl2 and kotulskyte PdTe and platinum clusters are investigated: PtFe4, Pt3Fe, PtFe (Pt2Fe2), Pt2Fe (Cu) Ni. The technique of attachment of the collector (composites) to cluster atoms EPG is offered. For the first time, it is established that at linkage of flotation collectors on monodentate, bidentate and bridged to circuits with atoms clusters the minerals containing atoms As, Sb, Bi, Pb, Sn, reaction of connection with change of a degree of oxidation of these atoms and occurrence of a proton operates. It is executed virtual skirling organic compounds connections by the developed criteria from accessible libraries of a database. The principle of an estimation of interaction energy for flotation reagents with mineral clusters is offered. It is developed the prognosis of collector activity evaluation (P?AE) and his values for candidates in collectors for flotation of minerals EPG are calculated. For flotation of ores containing Pt and Pd minerals, a number of reagents, including compounds on basis P (III), for innovational technology of Pt, Pd mineral flotation are recommended. Key words: flotation, minerals, flotation reagents on the basis of phosphorus (III), molecular modelling, chemical programs, program ????? , electronic energy."